[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-(3-pyrazol-1-ylpiperidin-1-yl)methanone

C22H26N4O4 — CID 86881860

IUPAC[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-(3-pyrazol-1-ylpiperidin-1-yl)methanone
SMILESCOc1cc(C(=O)N2CCCC(n3cccn3)C2)ccc1OCc1c(C)noc1C
InChIInChI=1S/C22H26N4O4/c1-15-19(16(2)30-24-15)14-29-20-8-7-17(12-21(20)28-3)22(27)25-10-4-6-18(13-25)26-11-5-9-23-26/h5,7-9,11-12,18H,4,6,10,13-14H2,1-3H3
InChIKeyRZXMBLRLXCSBIY-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.55
Rot. Bonds6

About [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-(3-pyrazol-1-ylpiperidin-1-yl)methanone

[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-(3-pyrazol-1-ylpiperidin-1-yl)methanone (PubChem CID 86881860) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-(3-pyrazol-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-(3-pyrazol-1-ylpiperidin-1-yl)methanone
PubChem CID86881860
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-(3-pyrazol-1-ylpiperidin-1-yl)methanone
SMILESCOc1cc(C(=O)N2CCCC(n3cccn3)C2)ccc1OCc1c(C)noc1C
InChIInChI=1S/C22H26N4O4/c1-15-19(16(2)30-24-15)14-29-20-8-7-17(12-21(20)28-3)22(27)25-10-4-6-18(13-25)26-11-5-9-23-26/h5,7-9,11-12,18H,4,6,10,13-14H2,1-3H3
InChIKeyRZXMBLRLXCSBIY-UHFFFAOYSA-N
XLogP3.55
TPSA82.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-(2-ethylpiperidin-1-yl)methanone
CID 51147869
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 55338031
3,4-dihydro-1H-isoquinolin-2-yl-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methanone
CID 27659563
1-[2-[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 55826784
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 29097025
(2-oxo-2-pyrrolidin-1-ylethyl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
CID 2537717
[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methanone
CID 55329208
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone
CID 24541436
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methanone
CID 34820040
1,3-benzodioxol-5-yl-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158283
(4-methylsulfonylphenyl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158589
[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone
CID 46603357

Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-(3-pyrazol-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-(3-pyrazol-1-ylpiperidin-1-yl)methanone (CID 86881860) is [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-(3-pyrazol-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-(3-pyrazol-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-(3-pyrazol-1-ylpiperidin-1-yl)methanone is COc1cc(C(=O)N2CCCC(n3cccn3)C2)ccc1OCc1c(C)noc1C.
What is the InChIKey of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-(3-pyrazol-1-ylpiperidin-1-yl)methanone?
The InChIKey is RZXMBLRLXCSBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-15-19(16(2)30-24-15)14-29-20-8-7-17(12-21(20)28-3)22(27)25-10-4-6-18(13-25)26-11-5-9-23-26/h5,7-9,11-12,18H,4,6,10,13-14H2,1-3H3.
What are the key properties of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-(3-pyrazol-1-ylpiperidin-1-yl)methanone?
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-(3-pyrazol-1-ylpiperidin-1-yl)methanone has a molecular weight of 410.47 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-(3-pyrazol-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 86881860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).